N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide

C17H23N5O4S — CID 120734272

IUPACN-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide
SMILESCOc1ccccc1C1CNCCN1C(=O)CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C17H23N5O4S/c1-21-12-13(9-19-21)27(24,25)20-11-17(23)22-8-7-18-10-15(22)14-5-3-4-6-16(14)26-2/h3-6,9,12,15,18,20H,7-8,10-11H2,1-2H3
InChIKeyBVCGPVVXZAKZFP-UHFFFAOYSA-N
MW393.47 g/mol
LogP-0.12
Rot. Bonds6

About N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide

N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 120734272) has the molecular formula C17H23N5O4S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID120734272
Molecular FormulaC17H23N5O4S
Molecular Weight393.47 g/mol
Exact Mass393.15
IUPAC NameN-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide
SMILESCOc1ccccc1C1CNCCN1C(=O)CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C17H23N5O4S/c1-21-12-13(9-19-21)27(24,25)20-11-17(23)22-8-7-18-10-15(22)14-5-3-4-6-16(14)26-2/h3-6,9,12,15,18,20H,7-8,10-11H2,1-2H3
InChIKeyBVCGPVVXZAKZFP-UHFFFAOYSA-N
XLogP-0.12
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride
CID 120731043
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride
CID 120734138
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120734946
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 120734221
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide;hydrochloride
CID 120735134
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 120733310
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120733090
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione;hydrochloride
CID 120733120
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120733408

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide (CID 120734272) is N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide is COc1ccccc1C1CNCCN1C(=O)CNS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is BVCGPVVXZAKZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4S/c1-21-12-13(9-19-21)27(24,25)20-11-17(23)22-8-7-18-10-15(22)14-5-3-4-6-16(14)26-2/h3-6,9,12,15,18,20H,7-8,10-11H2,1-2H3.
What are the key properties of N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide?
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 393.47 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 120734272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).